1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-2-acetonitrile CAS 568543-67-9

Description

Compared with other compounds in its class, the molecular weight of 245.30 g/mol gives 1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-2-acetonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-2-acetonitrile (CAS 568543-67-9), molecular formula C12H11N3OS and molecular weight 245.30 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, 1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidine-2-acetonitrile is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 245.30 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

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